SCHEMBL3664044

SCHEMBL3664044

CCNC(=O)Nc1nc2cc(-c3ccn(CCN4CCOCC4)c(=O)c3)c(F)cc2s1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 0.54
MET P08581 2/20 0.43
CYP3A4 P08684 1/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
CLK1 P49759 1/20 0.42
KMT2A Q03164 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3658776 0.85 ABL1 (0.47) ABL1SMN1; SMN2
SCHEMBL3664905 0.84 ABL1 (0.51) ABL1SMN1; SMN2
SCHEMBL3662159 0.81 ABL1 (0.51) ABL1HTTSMN1; SMN2MEN1POLB
SCHEMBL14813303 0.79 ABL1 (0.48) ABL1METCYP3A4HTTSMN1; SMN2
SCHEMBL2739735 0.77 ABL1 (0.47) ABL1SMN1; SMN2
SCHEMBL3661826 0.76 ABL1 (0.53) ABL1
SCHEMBL3755866 0.76 ABL1 (0.44) ABL1
SCHEMBL14813335 0.75 PIK3CA (0.39) ABL1
SCHEMBL3758838 0.75 ABL1 (0.43) ABL1SMN1; SMN2
SCHEMBL3663568 0.74 ABL1 (0.51) ABL1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231653-B1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2013-04-03 EP claimed
US-8299065-B2 Antibacterial condensed thiazoles BIOTA EUROPE LTD. (GB) 2012-10-30 US claimed
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2010-12-02 US claimed
US-20170007615-A1 Antibacterial Compounds SPERO GYRASE, INC. 2017-01-12 US disclosed
EP-2231653-B1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2013-04-03 EP disclosed
US-8299065-B2 Antibacterial condensed thiazoles BIOTA EUROPE LTD. (GB) 2012-10-30 US disclosed
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2010-12-02 US disclosed
EP-2231653-A1 ANTIBACTERIAL CONDENSED THIAZOLES Biota Europe Ltd (GB) 2010-09-29 EP disclosed
WO-2009074812-A1 ANTIBACTERIAL CONDENSED THIAZOLES PROLYSIS LTD (GB) 2009-06-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170007615-A1 Antibacterial Compounds CLPP, MRPL21, RELA ABL1 294/4885MET 3141/4885CYP3A4 4713/4885
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES NEK6, NEK1, TXK ABL1 89/4885MET 768/4885CYP3A4 1308/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.